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Cover: Journal of the Chinese Chemical Society 09/2024 封面中国化学会志 09/2024
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-09-14 DOI: 10.1002/jccs.1854
{"title":"Cover: Journal of the Chinese Chemical Society 09/2024","authors":"","doi":"10.1002/jccs.1854","DOIUrl":"https://doi.org/10.1002/jccs.1854","url":null,"abstract":"<p>This figure gives the solvent effect described using two different solvation models (the linear response and state-specific schemes) on the energy, dipole moment, and oscillator strength involved in a vertical excitation of the solution-phase organic molecule. More details about this figure will be discussed by Dr. Shih-I Lu and his co-worker on page 1045-1051 in this issue.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 9","pages":"943"},"PeriodicalIF":1.6,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.1854","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142233179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Contents and Masthead: Journal of the Chinese Chemical Society 09/2024 内容和刊头：中国化学会志 09/2024
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-09-14 DOI: 10.1002/jccs.1855
{"title":"Contents and Masthead: Journal of the Chinese Chemical Society 09/2024","authors":"","doi":"10.1002/jccs.1855","DOIUrl":"https://doi.org/10.1002/jccs.1855","url":null,"abstract":"","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 9","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.1855","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142233180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of the Michaelis complex of trypsin with N-α-benzoyl-l-arginine ethyl ester 胰蛋白酶与 N-α-苯甲酰基-精氨酸乙酯的迈克尔复合物晶体结构
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-09-02 DOI: 10.1002/jccs.202400214
Zeeshan Akbar, Malik Shoaib Ahmad
{"title":"Crystal structure of the Michaelis complex of trypsin with N-α-benzoyl-l-arginine ethyl ester","authors":"Zeeshan Akbar,&nbsp;Malik Shoaib Ahmad","doi":"10.1002/jccs.202400214","DOIUrl":"10.1002/jccs.202400214","url":null,"abstract":"<p>The crystal structure of Michaelis complex of the bovine trypsin with N-α-benzoyl-<span>l</span>-arginine ethyl ester (BAEE) was determined at 2.30 Å resolution. The structure of enzyme-substrate complex was solved in space group H3<sub>2</sub>. The active site of trypsin was found to be occupied with the N-α-benzoyl-<span>l</span>-arginine ethyl ester. The hydrolyzed product of substrate molecules was also crystallized with trypsin. The substrate was embedded within the S1 binding site of the enzyme, and showed contacts with Gly-195, Ser-216, and Ser-192. Some water molecules were also found within the vicinity of catalytic residues of enzyme. Interestingly, the hydrolyzed product present within the crystal lattice was found to be with inverted configuration. The crystal structure of trypsin in-complex with N-α-benzoyl-<span>l</span>-arginine ethyl ester has never been reported previously.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 11","pages":"1410-1415"},"PeriodicalIF":1.6,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213837","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
BODIPY-based iridium and ruthenium complexes: Synthesis, photophysical, and photochemical properties 基于 BODIPY 的铱和钌配合物：合成、光物理和光化学特性
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-09-01 DOI: 10.1002/jccs.202400207
Beyza Cabir, Seda Cetindere
{"title":"BODIPY-based iridium and ruthenium complexes: Synthesis, photophysical, and photochemical properties","authors":"Beyza Cabir,&nbsp;Seda Cetindere","doi":"10.1002/jccs.202400207","DOIUrl":"10.1002/jccs.202400207","url":null,"abstract":"<p>The design, synthesis, and characterization of novel BODPY-based iridium and ruthenium complexes were reported. The structures of new compounds were fully characterized by FT-IR, MALDI-TOF mass analysis, elemental analysis, <sup>1</sup>H, and <sup>19</sup>F NMR spectroscopies. Precursor BODIPY was characterized by single-crystal x-ray diffraction technique for the first time. Photophysical properties including absorption and emission profiles and lifetimes were investigated via UV–vis absorption and emission spectroscopy. Photochemical properties were investigated via direct method, and the singlet oxygen production capabilities of new complexes were determined by NIR phosphorescence methods. BODIPY-based new complexes were efficient at producing <sup>1</sup>O<sub>2</sub>. Besides, both complexes showed more remarkable photosensitization ability than some commonly used photosensitizer based on BODIPY derivatives. This study points out that novel complexes are effective <sup>1</sup>O<sub>2</sub> photosensitizers that might be used for different application areas like photodynamic therapy.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 11","pages":"1402-1409"},"PeriodicalIF":1.6,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Single-crystal X-ray analysis of the diketo form of asymmetric curcuminoids and coupled with NMR insights into its β-Keto-enol tautomerization at ambient temperature 对不对称姜黄素的二酮形式进行单晶 X 射线分析，并结合核磁共振深入了解其 β-酮烯醇在常温下的共聚情况
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-08-26 DOI: 10.1002/jccs.202400236
Yang-Je Cheng, Jyun-Yi Lin, Tzenge-Lien Shih, Chung-Hung Hsieh
{"title":"Single-crystal X-ray analysis of the diketo form of asymmetric curcuminoids and coupled with NMR insights into its β-Keto-enol tautomerization at ambient temperature","authors":"Yang-Je Cheng,&nbsp;Jyun-Yi Lin,&nbsp;Tzenge-Lien Shih,&nbsp;Chung-Hung Hsieh","doi":"10.1002/jccs.202400236","DOIUrl":"10.1002/jccs.202400236","url":null,"abstract":"<p>In this study, we present a detailed analysis of the structural forms of asymmetric curcuminoids through single-crystal X-ray diffraction and nuclear magnetic resonance (NMR) spectroscopy. Curcuminoids substituted with electron-withdrawing groups (Cl and Br) predominantly adopt the <i>β</i>-keto-enol form, whereas those with an OMe group exhibit both diketo and <i>β</i>-keto-enol forms. Variable-temperature X-ray diffraction studies confirm that the structural state of curcuminoids is influenced by temperature. Our findings also reveal that the <i>β</i>-keto-enol form is favored in acidic and neutral conditions, while the diketo form is more prevalent in basic environments. The theoretical Density Functional Theory (DFT) calculations further elucidate the energy differences between the diketo and <i>β</i>-keto-enol forms, emphasizing the significance of electronic effects and temperature on tautomeric distributions. These insights enhance our understanding of the structural dynamics of curcuminoids, with implications for their biological activity and pharmacological applications.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 11","pages":"1396-1401"},"PeriodicalIF":1.6,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Research of the anharmonic effect on the main reactions related to NH3, NH2, and NH 研究与 NH3、NH2 和 NH 有关的主要反应的非谐波效应
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-08-24 DOI: 10.1002/jccs.202400188
Yufeng Chen, Linyi Chen, Zening Song, Shuyang Xu, Wenwen Xia, Li Yao
{"title":"Research of the anharmonic effect on the main reactions related to NH3, NH2, and NH","authors":"Yufeng Chen,&nbsp;Linyi Chen,&nbsp;Zening Song,&nbsp;Shuyang Xu,&nbsp;Wenwen Xia,&nbsp;Li Yao","doi":"10.1002/jccs.202400188","DOIUrl":"10.1002/jccs.202400188","url":null,"abstract":"<p>NH<sub>3</sub> is a highly promising zero-carbon fuel. In this paper, 19 important reactions involving NH<sub>3</sub>, NH<sub>2</sub>, and NH in the ammonia system are studied to better establish the combustion reaction mechanism of ammonia. These reactions encompass the reactions of NH<sub>3</sub>, NH<sub>2</sub>, and NH with free radicals and inorganic compounds such as O, H, OH, NO, H<sub>2</sub>O, and O<sub>2</sub>. Utilizing the transition state theory and Yao-Lin method, energy barrier diagrams for these reactions are presented, and the harmonic and anharmonic rate constants are calculated over the temperature range from 300 to 4000 K. The calculation results reveal that, in most reactions, the harmonic rate constants exceed the anharmonic rate constants and the experimental results are closer to the anharmonic rate constants. Additionally, the kinetic and thermodynamic parameters are fitted. To summarize, most reactions are significantly influenced by the anharmonic effect.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 10","pages":"1186-1202"},"PeriodicalIF":1.6,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Porphyrin-based conjugated microporous polymer-grafted graphene electrochemical sensor for vanillin detection 用于检测香兰素的卟啉基共轭微孔聚合物接枝石墨烯电化学传感器
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-08-24 DOI: 10.1002/jccs.202400171
Gang Xiang, Wensi Xu, Wenfeng Zhuge, Zhengfa Zhang, Cuizhong Zhang, Jinyun Peng, Fuyan Li
{"title":"Porphyrin-based conjugated microporous polymer-grafted graphene electrochemical sensor for vanillin detection","authors":"Gang Xiang,&nbsp;Wensi Xu,&nbsp;Wenfeng Zhuge,&nbsp;Zhengfa Zhang,&nbsp;Cuizhong Zhang,&nbsp;Jinyun Peng,&nbsp;Fuyan Li","doi":"10.1002/jccs.202400171","DOIUrl":"10.1002/jccs.202400171","url":null,"abstract":"<p>Vanillin is often used in food and medicine because of its unique flavor and pharmacological effects. However, excessive vanillin intake can harm human health; therefore, rapid and simple vanillin detection methods are required. In this study, porphyrin-based conjugated microporous polymer-grafted graphene (CMP-rGO) was synthesized via the Sonogashira–Hagihara coupling reaction and assembled into an electrochemical sensor for vanillin detection. Due to the enhanced electrical conductivity and electrocatalytic characteristics of CMP-rGO, the sensor demonstrated a low detection limit of 0.07 μM and a broad response range of 0.08–20 μM. Furthermore, this reusable sensor exhibited acceptable recoveries when evaluating vanillin in pharmaceuticals and human serum. This study offers technological assistance for the rapid detection of vanillin in pharmaceuticals and broadens the application of CMP-rGO.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 10","pages":"1263-1273"},"PeriodicalIF":1.6,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation of naphthalenes via Pd-catalyzed annulation of 5-(2-bromophenyl)pent-3-en-1-ynes under Suzuki-Miyaura coupling conditions 在 Suzukii-Miyaura 偶联条件下，通过 Pd 催化 5-(2-溴苯基)戊-3-烯-1-炔环化制备萘
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-08-22 DOI: 10.1002/jccs.202400215
Cheng-Kai Hsu, Yi-Hung Liu, Shiuh-Tzung Liu
{"title":"Preparation of naphthalenes via Pd-catalyzed annulation of 5-(2-bromophenyl)pent-3-en-1-ynes under Suzuki-Miyaura coupling conditions","authors":"Cheng-Kai Hsu,&nbsp;Yi-Hung Liu,&nbsp;Shiuh-Tzung Liu","doi":"10.1002/jccs.202400215","DOIUrl":"10.1002/jccs.202400215","url":null,"abstract":"<p>Highly substituted naphthalene derivatives were prepared via palladium-catalyzed reaction of 5-(2-bromophenyl)pent-3-en-1-ynes with arylboronic acids. Typically, reaction of 3-bromo-4-(3-(4-chlorophenyl)-5-phenyl-1-(<i>p</i>-tolyl)pent-2-en-4-yn-1-yl)-<i>N</i>-methylaniline (<b>1a</b>) with PhB(OH)<sub>2</sub> in the presence of Pd(PPh<sub>3</sub>)<sub>4</sub> as the catalyst under basic conditions provided 8-benzhydryl-7-(4-chlorophenyl)-<i>N</i>-methyl-5-(<i>p-</i>tolyl)naphthalen-2-amine (<b>2a</b>) quantitatively. Overall, 19 new naphthalene compounds were obtained by this methodology and their structures were characterized by spectroscopic methods. In addition, crystal structure of <b>2j</b> was determined to confirm the structural details. Reaction pathway leading to the desired product is also discussed.</p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 10","pages":"1300-1308"},"PeriodicalIF":1.6,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142213610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preview: Journal of the Chinese Chemical Society 08/2024 预览：中国化学会志 08/2024
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-08-20 DOI: 10.1002/jccs.202408001
{"title":"Preview: Journal of the Chinese Chemical Society 08/2024","authors":"","doi":"10.1002/jccs.202408001","DOIUrl":"https://doi.org/10.1002/jccs.202408001","url":null,"abstract":"","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 8","pages":"942"},"PeriodicalIF":1.6,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.202408001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142021803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cover: Journal of the Chinese Chemical Society 08/2024 封面：中国化学会志 08/2024
IF 1.6 4区 化学
Journal of The Chinese Chemical Society Pub Date : 2024-08-20 DOI: 10.1002/jccs.1851
{"title":"Cover: Journal of the Chinese Chemical Society 08/2024","authors":"","doi":"10.1002/jccs.1851","DOIUrl":"https://doi.org/10.1002/jccs.1851","url":null,"abstract":"<p>This special issue on “Frontier Precise Measurement” aims to highlight the latest developments and applications in this dynamic area of research. In this special issue, we have invited chemists from a broad range of disciplines and expertise to showcase the diversity and activity of chemical and biological measurement. The issue features a diverse collection of articles covering various topics in precision measurement, including extraction, spectroscopy, sensors, electrochemical detection, mass spectrometry, and software development. We hope that readers will thoroughly enjoy the content.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":17262,"journal":{"name":"Journal of The Chinese Chemical Society","volume":"71 8","pages":"733"},"PeriodicalIF":1.6,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jccs.1851","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142021801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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